COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL535452
Chemical Name: 1-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)C1NCCc2c1[nH]c1c2cc(cc1)OC

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Saltdata: CH3COOH
Molecular Weight: 461.52
Empirical Formula: C25H27N5O4

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 3.196
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 109
Number of rings: 5

     

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